Basic information
- Standard SMILES
COC(=O)C(C)c1ccc(C2=CCN(C(=O)OC(C)(C)C)CC2)cc1- InChIKey
UYQMHXUDTYQYIO-UHFFFAOYSA-N- Molecular formula
- C20H27NO4
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.19400834
Names & identifiers
- Preferred name
- 4-[4-(1-Methoxycarbonyl-ethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[4-(1-methoxy-1-oxopropan-2-yl)phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
SCHEMBL14990741UYQMHXUDTYQYIO-UHFFFAOYSA-N4-[4-(1-Methoxycarbonyl-ethyl)-phenyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 86686111
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 512
Related reactions
2 records
Compound notes
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